Basic Info

Common NameAklomide(F05656)
2D Structure
FRCD IDF05656
CAS Number3011-89-0
PubChem CID2075
FormulaC7H5ClN2O3
IUPAC Name

2-chloro-4-nitrobenzamide

InChI Key

GFGSZUNNBQXGMK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11)

Canonical SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N

Synonyms
        
            2-Chloro-4-nitrobenzamide
        
            aklomide
        
            3011-89-0
        
            Aklomix
        
            Clomide
        
            Alkomide
        
            Benzamide, 2-chloro-4-nitro-
        
            component of Aklomix
        
            component of Novastat-W
        
            UNII-B0E341RA20
        
Classifies
                

                  
                    Predicted: Pollutant
                  

                
        
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree NodesHalobenzoic acids and derivatives
Direct Parent2-halobenzoic acids and derivatives
Alternative Parents
Molecular FrameworkAromatic homomonocyclic compounds
Substituents2-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Primary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

Properties

Property NameProperty Value
Molecular Weight200.578
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Complexity228
Monoisotopic Mass199.999
Exact Mass199.999
XLogP1.4
Formal Charge0
Heavy Atom Count13
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
Skin With Fat Of ChickensUnited States3ppm
Muscle Of ChickensUnited States4.5ppm
Liver Of ChickensUnited States4.5ppm
Chicken,FatJapan3ppm